Παρακολούθηση
Christos A Nicolaou
Christos A Nicolaou
Senior Scientific Director, Computational Drug Discovery, Novo Nordisk
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα novonordisk.com
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Παρατίθεται από
Παρατίθεται από
Έτος
Multi-objective optimization methods in drug design
CA Nicolaou, N Brown
Drug Discovery Today: Technologies 10 (3), e427-e435, 2013
2062013
Current and future roles of artificial intelligence in medicinal chemistry synthesis
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
1782020
De novo drug design using multiobjective evolutionary graphs
CA Nicolaou, J Apostolakis, CS Pattichis
Journal of chemical information and modeling 49 (2), 295-307, 2009
1372009
Molecular optimization using computational multi-objective methods
CA Nicolaou, N Brown, CS Pattichis
Current Opinion in Drug Discovery and Development 10 (3), 316, 2007
1182007
Molecular property prediction: recent trends in the era of artificial intelligence
J Shen, CA Nicolaou
Drug Discovery Today: Technologies 32, 29-36, 2019
932019
The Proximal Lilly Collection: mapping, exploring and exploiting feasible chemical space
CA Nicolaou, IA Watson, H Hu, J Wang
Journal of chemical information and modeling 56 (7), 1253-1266, 2016
922016
Exploration of ultralarge compound collections for drug discovery
WA Warr, MC Nicklaus, CA Nicolaou, M Rarey
Journal of Chemical Information and Modeling 62 (9), 2021-2034, 2022
762022
Analysis of large screening data sets via adaptively grown phylogenetic-like trees
CA Nicolaou, SY Tamura, BP Kelley, SI Bassett, RF Nutt
Journal of chemical information and computer sciences 42 (5), 1069-1079, 2002
722002
Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering
JD MacCuish, CA Nicolaou
US Patent 6,625,585, 2003
702003
Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets
Y Zhou, S Cahya, SA Combs, CA Nicolaou, J Wang, PV Desai, J Shen
Journal of chemical information and modeling 59 (3), 1005-1016, 2018
682018
Ties in proximity and clustering compounds
J MacCuish, C Nicolaou, NE MacCuish
Journal of Chemical Information and Computer Sciences 41 (1), 134-146, 2001
662001
Method and system for artificial intelligence directed lead discovery through multi-domain clustering
CA Nicolaou, BP Kelley, RF Nutt, SI Bassett
US Patent 6,904,423, 2005
602005
HIV-1 integrase: from biology to chemotherapeutics
E Zeinalipour-Loizidou, C Nicolaou, A Nicolaides, LG Kostrikis
Current HIV research 5 (4), 365-388, 2007
532007
Multi-objective optimization methods in de novo drug design
C A Nicolaou, C Kannas, E Loizidou
Mini reviews in medicinal chemistry 12 (10), 979-987, 2012
482012
Navigating the DNA encoded libraries chemical space
A Martín, CA Nicolaou, MA Toledo
Communications Chemistry 3 (1), 127, 2020
462020
A retrosynthetic analysis algorithm implementation
IA Watson, J Wang, CA Nicolaou
Journal of cheminformatics 11, 1-12, 2019
402019
Idea2Data: Toward a New Paradigm for Drug Discovery
CA Nicolaou, C Humblet, H Hu, EM Martin, FC Dorsey, TM Castle, ...
ACS medicinal chemistry letters 10 (3), 278-286, 2019
382019
Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains
JA Johnson, CA Nicolaou, SE Kirberger, AK Pandey, H Hu, ...
ACS Medicinal Chemistry Letters 10 (12), 1648-1654, 2019
312019
Context Aware Data-Driven Retrosynthetic Analysis
CA Nicolaou, IA Watson, M LeMasters, T Masquelin, J Wang
Journal of chemical information and modeling 60 (6), 2728-2738, 2020
292020
Building a tool to help teachers analyse learners’ interactions in a networked learning environment
O Petropoulou, I Altanis, S Retalis, CA Nicolaou, C Kannas, M Vasiliadou, ...
Educational Media International 47 (3), 231-246, 2010
182010
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